REMARK  Name = BDB046562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.665   0.833   0.921  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.850  -0.264   0.615  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.316  -0.100  -0.142  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.679   1.162  -0.608  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.126   2.259  -0.296  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.291   2.099   0.457  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.934   0.657   1.724  0.00  0.00    +0.059 C 
BRANCH   7  11
ATOM      8  O   LIG    1       -7.680  -0.617   1.747  0.00  0.00    -0.263 OA
ATOM      9  C   LIG    1       -6.553  -0.389   1.345  0.00  0.00    +0.279 C 
ATOM     10  S   LIG    1       -5.678   1.080   1.683  0.00  0.00    -0.054 S 
ATOM     11  C   LIG    1       -4.165   0.501   0.830  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -4.462  -0.951   0.493  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1       -3.643  -1.788   0.141  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1       -5.787  -1.241   0.628  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1       -6.112  -2.183   0.480  0.00  0.00    +0.158 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        1.791   1.462  -1.345  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.523   0.386  -1.937  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.570  -0.206  -1.017  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        4.220   0.577  -0.052  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.203   0.023   0.771  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        5.550  -1.318   0.625  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        6.880  -2.070   1.738  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.926  -2.108  -0.338  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.943  -1.552  -1.160  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5